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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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425997 135134508 1 NO2C13H25 AB2C13D25 -129.87 3.09 -9.71 0.7 0
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425998 135134628 1 O3N4H22C26 A3B4C22D26 15.54 4.49 -8.22 -0.72 0
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425999 135134629 1 NOF2C23H41 ABC2D23E41 -232.4 2.78 -9.01 2.26 0
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426000 135134632 1 NOC10H19 ABC10D19 -81.91 4.67 -9.64 1.36 0
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426001 135134633 1 NSO2C11H21 ABC2D11E21 -93.58 4.86 -9.41 -0.04 0
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426002 135134762 1 O2C17H26 A2B17C26 -124.3 5.09 -9.54 0.15 0
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426004 135134764 1 FO4N7C21H22 AB4C7D21E22 -66.9 2.59 -8.24 -1.06 0
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426005 135134769 1 NF2O2C15H19 AB2C2D15E19 -189.28 1.35 -9.72 -0.05 0
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426006 135134771 1 ClN7C22H24 AB7C22D24 126.04 4.94 -8.23 -0.9 0
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426007 135134772 1 ClN7C21H24 AB7C21D24 121.82 3.8 -8.05 -0.52 0
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426008 135134773 1 ClON7H18C19 ABC7D18E19 132.87 3.86 -8.48 -1.45 0
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426009 135134775 1 ClN7C20H22 AB7C20D22 119.62 1.53 -8.04 -0.46 0
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426010 135134777 1 ClSO2N6H19C20 ABC2D6E19F20 37.88 8.68 -8.48 -0.93 0
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426011 135134778 1 ClSO2N5H14C17 ABC2D5E14F17 43.12 9.57 -8.65 -1.37 0
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426013 135134883 1 ClO3N7C23H26 AB3C7D23E26 35.85 5.59 -8.38 -1.06 0
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426014 135134887 1 ON4C12H16 AB4C12D16 20.55 2.42 -7.9 0.05 0
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426015 135134888 1 ClON6C21H21 ABC6D21E21 74.37 3.57 -8.24 -0.72 0
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426016 135134892 1 ClN5H14C17 AB5C14D17 124.23 2.37 -8.07 -0.79 0
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426017 135134895 1 ClN6H17C18 AB6C17D18 118.73 6.28 -8.33 -0.58 0
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426018 135134898 1 ClON6C21H21 ABC6D21E21 75.81 3.3 -8.21 -0.68 0
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426019 135134899 1 ClN7C23H26 AB7C23D26 112.0 1.87 -8.06 -0.59 0
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426020 135134900 1 ClN5H16C19 AB5C16D19 137.8 4.22 -8.38 -0.86 0
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426021 135134902 1 O2C21H28 A2B21C28 -39.82 7.81 -8.35 -0.51 0
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426022 135134991 2 N2O2C9H9 A2B2C9D9 -9.31 3.01 -8.1 -1.76 1
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426023 135135011 1 N4O4C16H25 A4B4C16D25 -81.99 4.49 0.0 0.0 0
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426024 135135014 1 N2O3C14H16 A2B3C14D16 -19.8 1.7 -8.56 -0.44 0
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426025 135135021 1 SH18C19 AB18C19 59.73 0.53 -8.98 -0.45 2
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426026 135135022 1 N2O3C16H18 A2B3C16D18 -4.36 1.9 -8.13 -0.22 1
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426027 135135023 1 Br2N2O3C13H13 A2B2C3D13E13 12.91 2.69 0.0 0.0 1
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426028 135135024 1 Cl2N2O3C13H13 A2B2C3D13E13 -19.73 4.62 0.0 0.0 1
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426029 135135025 1 N3O6C14H14 A3B6C14D14 -82.23 5.93 0.0 0.0 2
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426030 135135026 1 N2O3C16H18 A2B3C16D18 -21.29 0.99 -7.9 -0.11 0
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426031 135135027 1 SN3O6H21C23 AB3C6D21E23 -177.19 7.17 -8.88 -0.96 1
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426032 135135127 1 N3O4C20H26 A3B4C20D26 -66.71 3.29 0.0 0.0 0
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426033 135135146 1 SO2N4C18H24 AB2C4D18E24 -51.06 2.65 -8.78 -0.18 0
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426034 135135147 1 ON2C12H18 AB2C12D18 -34.1 2.9 -9.18 0.12 0
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426035 135135148 1 N2F3C12H17 A2B3C12D17 -154.07 3.09 -9.2 -0.38 0
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426036 135135273 1 ON5C20H29 AB5C20D29 -17.31 3.52 -8.73 0.41 0
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426037 135135274 1 F3O3N4H25C27 A3B3C4D25E27 -202.09 6.38 -8.45 -0.89 0
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426038 135135275 1 NF3O4C13H20 AB3C4D13E20 -376.31 2.4 -10.05 0.29 0
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426039 135135276 1 SO2N4C13H14 AB2C4D13E14 -15.68 7.82 -8.54 -0.44 0
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426040 135135277 1 F2O4N5C24H27 A2B4C5D24E27 -203.66 6.95 -8.82 -1.06 0
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426041 135135278 1 O3N4C19H30 A3B4C19D30 -146.06 4.33 -9.52 -1.11 0
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426042 135135298 1 OSN4C18H24 ABC4D18E24 -16.85 3.19 -8.76 -0.17 0
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426043 135135408 2 FNC5H7 ABC5D7 -75.57 4.13 -8.68 -0.2 0
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426044 135135409 1 N2O2C17H26 A2B2C17D26 -114.81 1.79 -9.49 0.13 0
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426045 135135410 1 SO2N4C18H24 AB2C4D18E24 -52.91 3.65 -8.93 -0.37 0
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426046 135135411 1 OSN4C20H28 ABC4D20E28 -29.43 3.22 -8.68 -0.27 0
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426047 135135413 1 ClN2O2F3C16H18 AB2C2D3E16F18 -234.99 3.57 -9.72 -1.36 0
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426048 135135451 1 N2F3C12H17 A2B3C12D17 -157.06 4.59 -8.45 -0.12 0